6B2E
 
 | | Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4. | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | | Deposit date: | 2017-09-19 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
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6B1U
 | | Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | | Deposit date: | 2017-09-19 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
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6D49
 | | Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution | | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | | Deposit date: | 2018-04-17 | | Release date: | 2019-04-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
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6D4A
 | | Cell Surface Receptor with Bound Ligand at 1.75-A Resolution | | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | | Deposit date: | 2018-04-17 | | Release date: | 2019-04-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
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6BFS
 | | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies | | Descriptor: | Fab Heavy Chain, Fab light Chain, Granulocyte-macrophage colony-stimulating factor | | Authors: | Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | | Deposit date: | 2017-10-26 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities.
MAbs, 10, 2018
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6PRO
 | | MnSOD from Geobacillus stearothermophilus | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | | Authors: | Adams, J.J, Morton, C.J, Parker, M.W. | | Deposit date: | 2019-07-10 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.263 Å) | | Cite: | The Crystal Structure of the Manganese Superoxide Dismutase from Geobacillus stearothermophilus: Parker and Blake (1988) Revisited
Aust.J.Chem., 73, 2020
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2R4V
 | | Structure of human CLIC2, crystal form A | | Descriptor: | Chloride intracellular channel protein 2, GLUTATHIONE | | Authors: | Hansen, G, Cromer, B.A, Gorman, M.A, Parker, M.W. | | Deposit date: | 2007-09-02 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the Janus Protein Human CLIC2
J.Mol.Biol., 374, 2007
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4AHT
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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4AHS
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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6D48
 | | Cell Surface Receptor | | Descriptor: | Myeloid cell surface antigen CD33 | | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | | Deposit date: | 2018-04-17 | | Release date: | 2019-04-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.776 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
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4AH9
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE, CHLORIDE ION, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-06 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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4AHR
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 3-(1,3-benzodioxol-5-yl)propanoic acid, ACETIC ACID, GLYCEROL, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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7GSS
 | | Human glutathione S-transferase P1-1, complex with glutathione | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1 | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-13 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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4AHV
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine, ACETIC ACID, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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7L1P
 | | HIV Integrase Core domain (IN) in complex with dimer-spanning ligand | | Descriptor: | (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2020-12-15 | | Release date: | 2021-12-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | HIV Integrase core domain in complex with inhibitor
To Be Published
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7LO4
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2R5G
 | | Structure of human CLIC2, crystal form B | | Descriptor: | Chloride intracellular channel protein 2 | | Authors: | Gorman, M.A, Hansen, G, Cromer, B.A, Parker, M.W. | | Deposit date: | 2007-09-03 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure of the Janus Protein Human CLIC2
J.Mol.Biol., 374, 2007
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6BA4
 | | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | | Deposit date: | 2017-10-12 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
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6BA2
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor | | Descriptor: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | | Deposit date: | 2017-10-11 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85003817 Å) | | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
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3GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ... | | Authors: | Oakley, A.J, Rossjohn, J, Parker, M.W. | | Deposit date: | 1996-10-29 | | Release date: | 1997-11-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate.
Biochemistry, 36, 1997
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3L3V
 | | Structure of HIV-1 integrase core domain in complex with sucrose | | Descriptor: | CADMIUM ION, POL polyprotein, SULFATE ION, ... | | Authors: | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | | Deposit date: | 2009-12-18 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site
Febs Lett., 584, 2010
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3L3U
 | | Crystal structure of the HIV-1 integrase core domain to 1.4A | | Descriptor: | POL polyprotein, SULFATE ION | | Authors: | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | | Deposit date: | 2009-12-17 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site.
Febs Lett., 584, 2010
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4YEF
 | | beta1 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclododextrin | | Descriptor: | 5'-AMP-activated protein kinase subunit beta-1, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ... | | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | | Deposit date: | 2015-02-24 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
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4YEE
 | | beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin | | Descriptor: | 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL | | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | | Deposit date: | 2015-02-24 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
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2QUG
 | | Crystal structure of alpha-1-antitrypsin, crystal form A | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Hansen, G, Morton, C.J, Pearce, M.C, Feil, S.C, Adams, J.J, Parker, M.W, Bottomley, S.P. | | Deposit date: | 2007-08-05 | | Release date: | 2008-08-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding.
Protein Sci., 17, 2008
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